Glycoside
...
GD005554

Name:
None

Formula:
C58H94O16N5Cl

Smiles:
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@@](C)(OC)[C@H](OCCNCCOCCNc3cc4c(=O)c(C(=O)O)cn(C5CC5)c4cc3Cl)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@H](C)CN(C)[C@H](C)[C@H](O)[C@]1(C)O

Aglycone:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O.O=C(O)c1cn(C2CC2)c2cc(Cl)c(NCCOCCNCCO)cc2c1=O

Sugarmoiety:
COC1(C)CC(O)OC(C)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 6
HBD: 7 FractionCSP3: 0.81
AlogP: 4.64 Num_rotatable_bonds: 20
MolWt: 1140.85 Num_heavy_atoms: 79
TPSA: 261.67 NumAromaticRings: 2

Unique Aglycone
AD00728
Formula: C30H58O9N2

Smiles:
CCC1OC(=O)C(C)C(O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(O)CC(C)CN(C)C(C)C(O)C1(C)O
HBA: 11 RingCount: 2
HBD: 5 FractionCSP3: 0.97
AlogP: 0.98 Num_rotatable_bonds: 4
MolWt: 590.8 Num_heavy_atoms: 41
TPSA: 152.39 NumAromaticRings: 0
AD04709
Formula: C20H24O5N3Cl

Smiles:
O=C(O)c1cn(C2CC2)c2cc(Cl)c(NCCOCCNCCO)cc2c1=O
HBA: 8 RingCount: 3
HBD: 4 FractionCSP3: 0.47
AlogP: 1.7 Num_rotatable_bonds: 11
MolWt: 409.87 Num_heavy_atoms: 28
TPSA: 112.82 NumAromaticRings: 2

Sugarmoiety
SD00005

COC1(C)CC(O)OC(C)C1O